General Information of the Compound
| Compound ID |
CP0462817
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| Compound Name |
US8901315, 147
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| Structure |
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| Formula |
C26H33N5O3S
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| Molecular Weight |
495.649
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| Canonical SMILES |
COc1cc(NC(=O)c2cc3c(C)nn(C4CCCCC4)c3s2)ccc1C(=O)N1CCN(C)CC1
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| InChI |
InChI=1S/C26H33N5O3S/c1-17-21-16-23(35-26(21)31(28-17)19-7-5-4-6-8-19)24(32)27-18-9-10-20(22(15-18)34-3)25(33)30-13-11-29(2)12-14-30/h9-10,15-16,19H,4-8,11-14H2,1-3H3,(H,27,32)
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| InChIKey |
CWEIPOFLTXKBAJ-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound